3-Bromo-1H-pyrazolo[3,4-d]pyrimidine


Chemical Name: 3-Bromo-1H-pyrazolo[3,4-d]pyrimidine
CAS Number: 1251033-27-8
Product Number: AG000N6Z(AGN-PC-0O0Q7G)
Synonyms:
MDL No:
Molecular Formula: C5H3BrN4
Molecular Weight: 199.0081

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
199.011g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
197.954g/mol
Monoisotopic Mass:
197.954g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
131
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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